@<TRIPOS>MOLECULE
DB03991
37 37 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -1.7804     0.3575    -3.3613	O.2	1	noname	-0.2459
2	C1    -1.6675     1.2317    -2.4750	C.2	1	noname	0.1197
3	O2    -2.6967     2.0655    -2.2142	O.3	1	noname	-0.2092
4	C2    -0.5077     1.3429    -1.7734	C.2	1	noname	0.0662
5	O3     0.6481     0.9914    -2.3946	O.3	1	noname	-0.2451
6	C3    -0.5777     1.7956    -0.5040	C.2	1	noname	0.0406
7	C4     1.7482     0.6203    -1.5147	C.3	1	noname	0.1182
8	C5     0.6300     1.9259     0.3197	C.3	1	noname	0.1003
9	C6     1.9945     1.6381    -0.3715	C.3	1	noname	0.1114
10	C7     3.0276     0.4585    -2.3380	C.3	1	noname	0.1111
11	O4     0.6622     3.2162     0.9118	O.3	1	noname	-0.3865
12	N1     2.8668     1.0974     0.5435	N.2	1	noname	-0.2266
13	O5     2.8380    -0.5565    -3.3128	O.3	1	noname	-0.3874
14	C8     4.1829     0.0688    -1.4139	C.3	1	noname	0.1056
15	C9     3.6436     1.8575     1.2102	C.2	1	noname	0.0182
16	O6     5.3703    -0.0814    -2.1780	O.3	1	noname	-0.3878
17	C10     3.8547    -1.2530    -0.7166	C.3	1	noname	0.0718
18	O7     3.6104     3.1636     1.0219	O.3	1	noname	-0.2661
19	C11     4.5508     1.2952     2.1618	C.3	1	noname	-0.0002
20	O8     4.9270    -1.6147     0.1412	O.3	1	noname	-0.3934
21	H1    -2.8048     2.1530    -1.2643	H	1	noname	0.2217
22	H2    -1.5789     2.0481    -0.1548	H	1	noname	0.0633
23	H3     1.4201    -0.3254    -1.0831	H	1	noname	0.0661
24	H4     0.4696     1.1854     1.1033	H	1	noname	0.0670
25	H5     2.5169     2.5370    -0.6990	H	1	noname	0.0611
26	H6     3.2559     1.3637    -2.9007	H	1	noname	0.0657
27	H7     0.6600     3.1297     1.8679	H	1	noname	0.2109
28	H8     2.6812    -1.3960    -2.8743	H	1	noname	0.2106
29	H9     4.3986     0.8567    -0.6922	H	1	noname	0.0652
30	H10     6.1211    -0.1763    -1.5873	H	1	noname	0.2106
31	H11     3.0009    -1.0854    -0.0600	H	1	noname	0.0591
32	H12     3.8133    -2.0341    -1.4757	H	1	noname	0.0591
33	H13     3.5990     3.6093     1.8721	H	1	noname	0.2195
34	H14     4.2000     1.5126     3.1707	H	1	noname	0.0317
35	H15     4.6030     0.2157     2.0201	H	1	noname	0.0317
36	H16     5.5408     1.7286     2.0201	H	1	noname	0.0317
37	H17     4.6506    -1.5215     1.0558	H	1	noname	0.2101
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	4	5	1
5	4	6	2
6	7	5	1
7	6	8	1
8	7	9	1
9	7	10	1
10	8	11	1
11	8	9	1
12	9	12	1
13	10	13	1
14	10	14	1
15	12	15	2
16	14	16	1
17	14	17	1
18	15	18	1
19	15	19	1
20	17	20	1
21	3	21	1
22	6	22	1
23	7	23	1
24	8	24	1
25	9	25	1
26	10	26	1
27	11	27	1
28	13	28	1
29	14	29	1
30	16	30	1
31	17	31	1
32	17	32	1
33	18	33	1
34	19	34	1
35	19	35	1
36	19	36	1
37	20	37	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1